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Ethanamine,2-chloro-N-(3-nitroso-2-oxazolidinylidene)- structure
3D Mol Similar
Ethanamine,2-chloro-N-(3-nitroso-2-oxazolidinylidene)- structure

Ethanamine,2-chloro-N-(3-nitroso-2-oxazolidinylidene)-
Iupac Name：N-(2-chloroethyl)-3-nitroso-1,3-oxazolidin-2-imine
CAS No.: 76310-08-2
Molecular Weight：177.588
Modify Date.: 2022-11-27 03:48
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1. Names and Identifiers
1.1 Name
Ethanamine,2-chloro-N-(3-nitroso-2-oxazolidinylidene)-
1.2 Synonyms

(2Z)-N-(2-Chloroethyl)-3-nitroso-1,3-oxazolidin-2-imine AC1L7C7O DS-010833 DTXSID20318533 HE386855 n-(2-chloroethyl)-3-nitroso-1,3-oxazolidin-2-imine NSC 332566 nsc332566

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1.3 CAS No.
76310-08-2
1.4 CID
332946
1.5 Molecular Formula
C5H8ClN3O2 (isomer)
1.6 Inchi
InChI=1S/C5H8ClN3O2/c6-1-2-7-5-9(8-10)3-4-11-5/h1-4H2
1.7 InChIkey
WIKJVZMPLSVSAR-UHFFFAOYSA-N
1.8 Canonical Smiles
C1COC(=NCCCl)N1N=O
1.9 Isomers Smiles
C1COC(=NCCCl)N1N=O
2. Properties
2.1 Density
1.5
2.1 Boiling point
219.7°C at 760 mmHg
2.1 Refractive index
1.593
2.1 Flash Point
86.7°C
2.1 PSA
54.26000
2.1 logP
0.53270
4. Precursor and Product
precursor:
2214-72-4
2214-72-4
71353-16-7
71353-16-7
product :
73771-48-9
73771-48-9
5. Computational chemical data
  • Molecular Weight: 177.588g/mol
  • Molecular Formula: C5H8ClN3O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 0.3
  • Exact Mass: 177.0305042
  • Monoisotopic Mass: 177.0305042
  • Complexity: 173
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 54.3
  • Heavy Atom Count: 11
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAEAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgIMAAAAAAPhgEYBAAIABAAhAAAAJAAAAAEAAAARAAAIAAACAAAACAAJAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Realated Product Infomation
2-Cyano-2-(2-Oxazolidinylidene)-Acetamide
919290-10-1 2-Cyano-2-(2-Oxazolidinylidene)-Acetamide
4-CHLORO-6-NITROSO-RESORCINOL
109755-36-4 4-CHLORO-6-NITROSO-RESORCINOL
Cyclohexane, 1-chloro-1-nitroso-
695-64-7 Cyclohexane, 1-chloro-1-nitroso-
Pyrimidine, 4-chloro-6-nitroso- (9CI)
126827-22-3 Pyrimidine, 4-chloro-6-nitroso- (9CI)
Acetaldehyde, (4-methyl-5-oxo-2-oxazolidinylidene)- (9CI)
152420-77-4 Acetaldehyde, (4-methyl-5-oxo-2-oxazolidinylidene)- (9CI)
Acetaldehyde, [4-(1-methylethyl)-5-oxo-2-oxazolidinylidene]- (9CI)
152420-78-5 Acetaldehyde, [4-(1-methylethyl)-5-oxo-2-oxazolidinylidene]- (9CI)
2-Chloro-ethanaMine-d4 Hydrochloride
172333-26-5 2-Chloro-ethanaMine-d4 Hydrochloride
Recently Updated : 1787294-52-3 1564933-37-4 1566228-39-4 1567052-39-4 474558-55-9 1565743-82-9 1594871-98-3 2903520-96-5 1565577-46-9 1564881-39-5
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Directory
1. Names and Identifiers
2. Properties
2.1 Density
2.1 Boiling point
2.1 Refractive index
2.1 Flash Point
2.1 PSA
2.1 logP
3.Synthesis Route
4.Precursor and Product
5.Computational chemical data
 

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